UCSF

ZINC34681607

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.97 12.74 -42.96 2 5 1 50 393.555 6
Mid Mid (pH 6-8) 4.97 10.46 -8.67 1 5 0 48 392.547 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )